| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 18 | Yes |
Popular Name: (2S,4S)-1-[(4-ethylcyclohexyl)methyl]-N,2-dimethyl-piperidin-4-amine (2S,4S)-1-[(4-ethylcyclohexyl)me…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.59 | 7.86 | -32.25 | 2 | 2 | 1 | 16 | 253.454 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 7.2 | -36.36 | 2 | 2 | 1 | 20 | 253.454 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.59 | 9.13 | -102.23 | 3 | 2 | 2 | 21 | 254.462 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
